5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

Base Information

Chemical Name:5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS No.:210159-14-1
Molecular Formula:C₁₁H₁₁N₃O₂
Molecular Weight:217.227
Hs Code.:
European Community (EC) Number:893-871-9
Nikkaji Number:J962.161J

Synonyms:5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid;210159-14-1;5-methyl-1-(3-methylphenyl)triazole-4-carboxylic acid;MFCD02168479;AKOS004123078;BS-4244;CS-0250503;EN300-51125;G22879;Z381397896;5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylicacid

Suppliers and Price of 5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:217.085126602
Heavy Atom Count:16
Complexity:272

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)O)C

Technology Process of 5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

There total 3 articles about 5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 54.0%

: 4113-72-8
1-azido-3-methylbenzene

: 141-97-9
ethyl acetoacetate

: 210159-14-1
5-methyl-1-(m-tolyl)-1H-1,2,3-triazole-4-carboxylic acid

Guidance literature:: With sodium methylate; In methanol;
DOI:10.1134/S1070428008100217

Reference yield:

: 108-44-1
1-amino-3-methylbenzene

: 210159-14-1
5-methyl-1-(m-tolyl)-1H-1,2,3-triazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium nitrite; hydrogenchloride / water / 1 h / 0 °C

1.2: 1 h / 0 °C

2.1: sodium ethanolate / ethanol / 80 °C

With hydrogenchloride; sodium ethanolate; sodium nitrite; In ethanol; water;
DOI:10.1021/acs.jmedchem.8b01408

Reference yield:

: 4113-72-8
1-azido-3-methylbenzene

: 210159-14-1
5-methyl-1-(m-tolyl)-1H-1,2,3-triazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: sodium ethoxide / ethanol

2: sodium hydroxide / H₂O

With sodium hydroxide; sodium ethanolate; In ethanol; water; 1: Condensation / 2: Hydrolysis;
DOI:10.1002/(SICI)1097-458X(199806)36:6<459::AID-OMR297>3.0.CO;2-H